SCHEMBL28878431

SCHEMBL28878431

Cc1cc(Br)c(-c2cccs2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 6/20 0.37
MAPT P10636 5/20 0.37
RAB9A P51151 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1629985 0.81 KDM4E (0.41) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL4819905 0.81 MEN1 (0.41) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL27961821 0.81 MEN1 (0.41) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL17428023 0.79 ALDH1A1 (0.43) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL14832748 0.78 NPC1 (0.38) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL16616805 0.75 NPC1 (0.37) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL31099301 0.74 DPP4 (0.51) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL8510185 0.74 ALDH1A1 (0.43) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL29783022 0.74 PGR (0.38) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL18719430 0.73 ALDH1A1 (0.42) MEN1KMT2AKDM4EMAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108690045-B Diarylethene compounds and uses thereof 首诺加拿大公司 2022-08-30 CN disclosed